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- From: "Wu Rongqin" <g0203654@nus.edu.sg>
- To: <forum@abinit.org>
- Subject: about spin-polarized band structure calculation
- Date: Mon, 10 Oct 2005 21:10:02 +0800
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Dear all,
I tried to calculate the band structure of a spin polarized system and I first set isppol=2 for a self-consistent calculation and then still isppol=2 for a non-self-consistent calculation with k points supplied. However, abinit just gave out the eigenvalues of SPIN-UP and SPIN-DOWN. Yet, they are the same! I wonder how to calculate a spin-polarized band structure. Suggestions are appreciated!
Rongqin Wu |
- about spin-polarized band structure calculation, Wu Rongqin, 10/10/2005
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- about spin-polarized band structure calculation, Wu Rongqin, 10/10/2005
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